Molecule card · MolClass #44364
24813946
24813946: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24813946Mitochondrial Fusion · compound_name
- MolClass ID
- 44364
- InChIKey
- ZDDYOGNGBFJYDG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN1C=Nc2c3ccccc3(oc2(C1(=O))))N4CCCC4
- Standard InChI
- InChI=1S/C16H15N3O3/c20-13(18-7-3-4-8-18)9-19-10-17-14-11-5-1-2-6-12(11)22-15(14)16(19)21/h1-2,5-6,10H,3-4,7-9H2
- Stored Murcko scaffold
- N1=CN([CH]c2oc3ccccc3c12)C[CH]N4CCCC4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.943
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24813946